07bee39002
Merge branch 'USER-DPD_whitespace' into USER-DPD_kokkos
2016-12-20 12:23:02 -05:00
c4e02a5d2b
USER-DPD: more whitespace fixes
2016-12-20 11:17:11 -05:00
889ee78f8b
Change necessary for pair_exp6_rx_kokkos to compile on GPU
2016-12-19 17:15:02 -07:00
f62a6fe5a5
Renaming rand_pool_wrap to rand_pool_wrap_kokkos
2016-12-19 16:50:22 -07:00
6f51c3b75c
Fixing issues in pair_multi_lucy_rx_kokkos
2016-12-19 16:25:31 -07:00
99910fc432
Adding CPU runtime tested version of pair_dpd_fdt_energy_kokkos
2016-12-19 15:27:16 -07:00
3f1f51c1c7
Changes necessary for runtime testing of Kokkos styles
2016-12-19 13:31:09 -07:00
21bb603b93
Porting recent changes from USER-DPD package to KOKKOS package
2016-12-19 13:30:00 -07:00
2ba424e1a3
USER-DPD: Whitespace cleanup to pair_dpd_fdt_energy.cpp
2016-12-19 15:11:52 -05:00
ac57f4721c
Small whitespace tweak to pair_dpd_fdt_energy
2016-12-16 17:14:27 -07:00
5cae3eca8c
Whitespace cleanup to pair_dpd_fdt_energy, should be cherry-picked to Master
2016-12-16 17:09:19 -07:00
8474453efd
Merge branch 'master' into USER-DPD_kokkos: as of 17Dec16 patch
2016-12-16 15:02:41 -05:00
cfa61b98ae
Fixing runtime issues in fix_eos_table_rx_kokkos
2016-12-16 12:37:41 -07:00
81a2db8a0c
17Dec16 patch
2016-12-16 11:36:54 -07:00
0a176841e7
extra python_wrapper change needed for last patch
2016-12-16 11:35:42 -07:00
3027ac9250
patch 16Dec16
2016-12-16 10:30:57 -07:00
fc54ab5cea
Merge pull request #301 from akohlmey/corrections-and-bugfixes
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Collected corrections and bugfixes
2016-12-16 10:25:29 -07:00
e364b80724
added length keyword to python command
2016-12-16 10:24:25 -07:00
d93e3d1cee
Fixing runtime issues with pair_exp6_rx_kokkos
2016-12-16 10:06:12 -07:00
f47a40b2e4
Fixing Kokkos memory deallocation issue
2016-12-16 10:02:01 -07:00
830c9e8661
Merge branch 'USER-DPD_internal_energy' of https://github.com/timattox/lammps_USER-DPD into corrections-and-bugfixes
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This closes #303
2016-12-16 11:22:25 -05:00
4907b29ad2
Merge branch 'USER-DPD_bugfixes' of https://github.com/timattox/lammps_USER-DPD into corrections-and-bugfixes
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This closes #302
2016-12-16 11:21:15 -05:00
eff7238ff2
USER-DPD: fix_eos*: partition all internal energy into the uMech term only
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This makes our results more closely match a vetted serial implementation.
NOTE: This does make the output different from any previous versions.
Patch by Jim Larentzos. Applied by Tim Mattox.
2016-12-16 10:25:12 -05:00
126fb22e93
USER-DPD: Fix #define typo in pair_multi_lucy.h and pair_multi_lucy_rx.h
2016-12-16 10:08:30 -05:00
a3c1d385e8
Adding Kokkos version of fix_property_atom
2016-12-15 15:50:30 -07:00
d5f8f36442
Change to fix_property_atom to allow virtual override of grow_arrays() function
2016-12-15 15:48:09 -07:00
0a90492c44
USER-DPD: Update the header files to properly document all error statements
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Patch by Jim Larentzos. Applied by Tim Mattox.
2016-12-15 17:39:15 -05:00
fed629c23e
USER-DPD: Bugfix for fix_rx and fix_eos_table_rx to handle restart files.
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Patch by Jim Larentzos. Applied by Tim Mattox.
2016-12-15 17:10:13 -05:00
925481c3f4
USER-DPD: Fix hard-wall force interaction bug, and ensure fraction is >= 0
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pair_exp6_rx.cpp patch by Jim Larentzos. Applied by Tim Mattox.
2016-12-15 16:46:25 -05:00
c0d6cbbdd3
Updates to Kokkos files
2016-12-15 11:18:50 -07:00
da2ad5b6e0
update FixIntel code for new neighbor list code
2016-12-14 15:51:12 -05:00
bfcab72268
restore change to make -DLAMMPS_MEMALIGN=64 default when USER-INTEL package is installed (which requires it)
2016-12-14 15:24:55 -05:00
a9d26b3f4a
Updates to Kokkos files
2016-12-14 12:58:02 -07:00
3e2cd6d265
Merging from master to 13Dec16 version
2016-12-14 11:46:04 -07:00
d47c6b2761
Merge branch 'master' into USER-DPD_kokkos
2016-12-14 11:25:11 -07:00
f509f133af
patch 13Dec16: neighbor refactor, Stan pppm/disp bug fix, M Brown INTEL package updates
2016-12-13 17:14:28 -07:00
f93c62d3e2
Reverting accidental change
2016-12-13 16:54:00 -07:00
1dbf6d443f
Adding Kokkos files
2016-12-13 16:43:40 -07:00
624c57e9da
Merge pull request #185 from akohlmey/new-neighbor
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New neighbor list code with updates for USER-OMP and USER-DPD
2016-12-13 16:24:41 -07:00
f3b355bcbe
Merge pull request #298 from akohlmey/collected-small-fixes
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Collected small fixes
2016-12-13 16:23:23 -07:00
ae5764beac
added functionity to lib interface
2016-12-13 16:22:17 -07:00
fda43c00fd
add deleted file in package to purge list
2016-12-12 13:22:54 -05:00
13b6196b82
Fixing Kokkos compile error
2016-12-12 10:47:39 -07:00
baf55c90f4
Whitespace change
2016-12-12 09:25:41 -07:00
770f5d0bf7
Whitespace change
2016-12-12 09:24:37 -07:00
a31b00965a
Updating to master
2016-12-12 09:18:20 -07:00
31be0da590
Merging pull request
2016-12-09 16:17:35 -07:00
43c459ba56
More changes for Kokkos neighbor
2016-12-09 15:56:55 -07:00
5187cb97e5
USER-DPD: Make fix_shardlow request its own SSA-specific neighbor list,
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instead of having pair_dpd_fdt* make the SSA-neighbor list request for it.
Forces an "extra" list to be built, but now skip lists work properly.
Maybe we can detect if skip lists won't be used, and squash the extra list.
2016-12-09 15:42:27 -06:00
eff503e56c
Prevent neighbor list copies between SSA and non-SSA neighbor list requests.
2016-12-09 15:39:46 -06:00
